N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide

C16H17IN2O3S — CID 55795602

IUPACN-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H17IN2O3S/c17-15-9-5-4-8-14(15)16(20)18-10-11-23(21,22)19-12-13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,18,20)
InChIKeyZMDYNTZGGIVGEY-UHFFFAOYSA-N
MW444.29 g/mol
LogP2.14
Rot. Bonds7

About N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide

N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide (PubChem CID 55795602) has the molecular formula C16H17IN2O3S and a molecular weight of 444.29 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
PubChem CID55795602
Molecular FormulaC16H17IN2O3S
Molecular Weight444.29 g/mol
Exact Mass444.00
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1ccccc1I
InChIInChI=1S/C16H17IN2O3S/c17-15-9-5-4-8-14(15)16(20)18-10-11-23(21,22)19-12-13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,18,20)
InChIKeyZMDYNTZGGIVGEY-UHFFFAOYSA-N
XLogP2.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 55795889
N-[2-(benzylsulfamoyl)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78889434
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 87003942
N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide
CID 112842593
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672900
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
N-(benzylcarbamothioyl)-2-iodobenzamide
CID 2198373
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide (CID 55795602) is N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide is O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccccc1I.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide?
The InChIKey is ZMDYNTZGGIVGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O3S/c17-15-9-5-4-8-14(15)16(20)18-10-11-23(21,22)19-12-13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,18,20).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide?
N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide has a molecular weight of 444.29 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide is sourced from PubChem (CID 55795602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).